Abstract
The twist dynamics of 9-(N-carbazolyl)-anthracene (C9A) in the electronically excited bright and dark states S 1 and S X is investigated theoretically. Effects of Intramolecular Vibrational Redistribution (IVR) as well as the diabatic transition S 1 → S X are taken into account. Based on a model hamiltonian and IVR-rates, which have been derived earlier from laser induced fluorescence spectra and life times observed by Monte et al. [1], the Liouville-von Neumann equation is integrated with a dissipative Liouvillian in Lindblad form. The resulting time dependent density matrix yields nearly coherent twist dynamics of this rather large molecule, at least on a timescale of several ps. The corresponding pump-probe spectra are predicted following the approach proposed by Manz et al. [2].
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Giraud-Girard, J., Manz, J. & Scheurer, C. Twist dynamics of 9-(N-carbazolyl)-anthracene: effects of Intramolecular Vibrational Redistribution and non-adiabatic transitions in coupled bright and dark states. Z Phys D - Atoms, Molecules and Clusters 39, 291–299 (1997). https://doi.org/10.1007/s004600050139
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DOI: https://doi.org/10.1007/s004600050139